Project name: H677R

Chain sequence(s)	A: DAEFRRDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVI
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -2.5134
• Maximal score value: 2.4703
• Average score: -0.0804
• Total score value: -3.2949

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	D	A	-1.7785
2	A	A	-0.6082
3	E	A	-1.4497
4	F	A	1.2621
5	R	A	-1.8255
6	R	A	-2.5134
7	D	A	-1.9279
8	S	A	-0.5760
9	G	A	-0.0021
10	Y	A	0.7117
11	E	A	-1.4903
12	V	A	0.1542
13	H	A	-1.0376
14	H	A	-1.1504
15	Q	A	-1.6659
16	K	A	-1.3585
17	L	A	1.3423
18	V	A	0.9272
19	F	A	2.2810
20	F	A	2.3085
21	A	A	-0.1010
22	E	A	-2.1404
23	D	A	-1.8024
24	V	A	1.3603
25	G	A	-0.1651
26	S	A	-0.4486
27	N	A	-1.6025
28	K	A	-2.0224
29	G	A	-0.4523
30	A	A	0.3150
31	I	A	2.2727
32	I	A	0.8010
33	G	A	-0.3041
34	L	A	1.1475
35	M	A	1.3810
36	V	A	0.8235
37	G	A	-0.2829
38	G	A	-0.2238
39	V	A	1.9420
40	V	A	2.4703
41	I	A	2.1343